Evidence map›Paper›PMID 39068201›Full record

ArticleNature communications2024

A solution for 4-propylguaiacol hydrodeoxygenation without ring saturation.

Zihao Zhang, Qiang Li, Xiangkun Wu, Claire Bourmaud, Dionisios G Vlachos, Jeremy Luterbacher, Andras Bodi, Patrick Hemberger

Abstract read
In one paragraph

Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Zihao Zhang *Paul Scherrer Institute, Villigen, 5232, Switzerland.ORCID http://orcid.org/0000-0001-5106-2656
Qiang Li *Catalysis Center for Energy Innovation, University of Delaware, 221 Academy St., Newark, DE, 19716, USA.ORCID http://orcid.org/0000-0001-5568-2334
Xiangkun WuPaul Scherrer Institute, Villigen, 5232, Switzerland.
Claire BourmaudLaboratory of Sustainable and Catalytic Processing, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne (EPFL), Station 6, Lausanne, 1015, Switzerland.
Dionisios G VlachosCatalysis Center for Energy Innovation, University of Delaware, 221 Academy St., Newark, DE, 19716, USA. vlachos@udel.edu.ORCID http://orcid.org/0000-0002-6795-8403
Jeremy LuterbacherLaboratory of Sustainable and Catalytic Processing, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne (EPFL), Station 6, Lausanne, 1015, Switzerland. jeremy.luterbacher@epfl.ch.ORCID http://orcid.org/0000-0002-0967-0583
Andras BodiPaul Scherrer Institute, Villigen, 5232, Switzerland. andras.bodi@psi.ch.ORCID http://orcid.org/0000-0003-2742-1051
Patrick HembergerPaul Scherrer Institute, Villigen, 5232, Switzerland. patrick.hemberger@psi.ch.ORCID http://orcid.org/0000-0002-1251-4549

Funding

National Science Foundation (NSF) 1919839Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (Swiss National Science Foundation) 180544Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (Swiss National Science Foundation) 200021_182605Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (Swiss National Science Foundation) CRSII5_180258
6 · The paper itself

Abstract

We investigate solvent effects in the hydrodeoxygenation of 4-propylguaiacol (4PG, 166 amu), a key lignin-derived monomer, over Ru/C catalyst by combined operando synchrotron photoelectron photoion coincidence (PEPICO) spectroscopy and molecular dynamics simulations. With and without isooctane co-feeding, ring-hydrogenated 2-methoxy-4-propylcyclohexanol (172 amu) is the first product, due to the favorable flat adsorption configuration of 4PG on the catalyst surface. In contrast, tetrahydrofuran (THF)-a polar aprotic solvent that is representative of those used for lignin solubilization and upgrading-strongly coordinates to the catalyst surface at the oxygen atom. This induces a local steric hindrance, blocking the flat adsorption of 4PG more effectively, as it needs more Ru sites than the tilted adsorption configuration revealed by molecular dynamics simulations. Therefore, THF suppresses benzene ring hydrogenation, favoring a demethoxylation route that yields 4-propylphenol (136 amu), followed by dehydroxylation to propylbenzene (120 amu). Solvent selection may provide new avenues for controlling catalytic selectivity.

Identifiers

PMID39068201
PMCPMC11283461

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